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Biomacromolecules|February 8, 2022
Machine Learning at the Interface of Polymer Science and Biology: How Far Can We Go?Eleonora Gianti, Simona Percec
Journal of Chemical Information and Modeling|November 11, 2008
Identification and selection of "privileged fragments" suitable for primary screeningEleonora Gianti, Luca Sartori
Methods in Enzymology|March 29, 2018
Computational Approaches to Studying Voltage-Gated Ion Channel Modulation by General AnestheticsEleonora Gianti, Vincenzo Carnevale
Journal of Computer-Aided Molecular Design|March 11, 2015
An SH2 domain model of STAT5 in complex with phospho-peptides define "STAT5 Binding Signatures"Eleonora Gianti, Randy J Zauhar
Journal of Chemical Information and Modeling|August 29, 2012
Modeling androgen receptor flexibility: a binding mode hypothesis of CYP17 inhibitors/antiandrogens for prostate cancer therapyEleonora Gianti, Randy J Zauhar
Journal of Computer-Aided Molecular Design|December 25, 2013
Fragment-based Shape Signatures: a new tool for virtual screening and drug discoveryRandy J Zauhar, Eleonora Gianti, William J Welsh
Proceedings of the National Academy of Sciences of the United States of America|December 14, 2016
On the role of water density fluctuations in the inhibition of a proton channelEleonora Gianti, Lucie Delemotte, Michael L Klein, et al.
The Journal of Biological Chemistry|October 1, 2022
Computational and functional studies of the PI(4,5)P2 binding site of the TRPM3 ion channel reveal interactions with other regulatorsSiyuan Zhao, Vincenzo Carnevale, Matthew Gabrielle, et al.
Journal of Computer-Aided Molecular Design|April 7, 2016
Computational analysis of EBNA1 "druggability" suggests novel insights for Epstein-Barr virus inhibitor designEleonora Gianti, Troy E Messick, Paul M Lieberman, et al.
The Journal of Chemical Physics|March 24, 2019
Polymer nucleation under high-driving force, long-chain conditions: Heat release and the separation of time scalesKyle Wm Hall, Simona Percec, Michael L Klein
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